============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 -0.521 24.059 26.143 -99.200 -91.000 TYR 32 0.840 4.833 28.943 30.455 -99.200 -91.000 PHE 34 1.000 1.935 28.638 24.717 -99.200 -91.000 TRP 36 1.040 0.758 31.220 16.777 -99.200 -91.000 TRP6 36 1.020 2.143 29.704 15.590 -99.200 -91.000 TRP 47 1.040 0.828 40.580 19.120 -99.200 -91.000 TRP6 47 1.020 -1.530 40.719 19.232 -99.200 -91.000 HIS 59 0.900 -8.224 38.715 23.665 -99.200 -91.000 TYR 60 0.840 -7.689 35.562 16.487 -99.200 -91.000 HIS 63 0.900 -4.678 46.750 9.074 -99.200 -91.000 TYR 80 0.840 -2.555 22.431 16.756 -99.200 -91.000 TYR 94 0.840 3.137 33.151 8.875 -99.200 -91.000 PHE 95 1.000 10.647 33.892 14.017 -99.200 -91.000 TYR 100 0.840 4.802 31.053 35.462 -99.200 -91.000 TYR 109 0.840 -3.425 34.437 32.569 -99.200 -91.000 PHE 113 1.000 7.131 40.055 29.678 -99.200 -91.000 HIS 116 0.900 10.684 30.704 27.775 -99.200 -91.000 TRP 117 1.040 10.593 34.965 21.012 -99.200 -91.000 TRP6 117 1.020 9.484 36.099 19.263 -99.200 -91.000 PHE 136 1.000 22.232 29.888 -17.301 -99.200 -91.000 TYR 159 0.840 16.442 29.754 -6.029 -99.200 -91.000 PHE 160 1.000 7.787 28.630 -5.323 -99.200 -91.000 TRP 168 1.040 31.848 29.385 -4.816 -99.200 -91.000 TRP6 168 1.020 32.112 29.551 -7.161 -99.200 -91.000 HIS 178 0.900 31.866 38.599 -0.434 -99.200 -91.000 PHE 180 1.000 26.475 39.461 -3.646 -99.200 -91.000 TYR 190 0.840 12.098 33.052 -4.107 -99.200 -91.000 TYR 208 0.840 39.576 28.433 -8.541 -99.200 -91.000 HIS 214 0.900 15.371 24.399 -5.388 -99.200 -91.000